2-amino-3-(1H-indol-3-yl)propanamide hydrochloride

• ChemBase编号: 104769
• 分子式: C11H14ClN3O
• 平均质量: 239.70136
• 单一同位素质量: 239.08253976
• SMILES: Cl.NC(Cc1c[nH]c2ccccc12)C(=O)N
• Canonical SMILES: NC(=O)C(Cc1c[nH]c2c1cccc2)N.Cl
• InChI: InChI=1S/C11H13N3O.ClH/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10;/h1-4,6,9,14H,5,12H2,(H2,13,15);1H
• InChIKey: WOBDANBSEWOYKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-3-(1H-indol-3-yl)propanamide hydrochloride
• IUPAC传统名: tryptophan amide hydrochloride
• 别名: α-Amino-1H-indole-3-propanamide Hydrochloride; D,L-Tryptophanamide Hydrochloride; DL-TRYPTOPHANAMIDE

登记号

• CAS号: 67607-61-8
• PubChem SID: 162092032
• PubChem CID: 178777

理论计算性质

• Acid pKa: 15.949795
• 质子受体: 2
• 质子供体: 3
• LogD (pH = 5.5): -1.994071
• LogD (pH = 7.4): -0.2996021
• Log P: 0.36943445
• 摩尔折射率: 58.025 cm^3
• 极化性: 23.807716 Å^3
• 极化表面积: 84.9 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: Off-White Solid
• 熔点: 224-227°C

安全信息

• 保存条件: Refrigerator

详细说明

MP Biomedicals - 02157153

Hydrochloride

Toronto Research Chemicals - T895500

An amino acid amide used as a substrate for studying the action of aminopeptidase enzyme.Note: The isomer L-Tryptophanamide, Hydrochloride is also available as Catalogue Number T895505

参考文献

• Smith, E.L., et al.: J. Biol. Chem., 180, 1209 (1949)